data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27683_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.11 _LACS_plot.Line_1_terminator_val_y_1 -2.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 7.99 _LACS_plot.Line_2_terminator_val_y_2 6.01 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 120 ILE 5.09 1.39 0 113 ASN -1.32 -3.07 0 10 TRP -5.11 -3.50 1 11 THR 2.91 2.44 1 12 ASN -1.49 0.18 1 15 LEU 3.25 2.52 1 16 ALA 3.10 3.81 1 17 GLU 3.16 3.21 1 18 ASN 3.79 3.16 1 19 PHE 4.35 4.27 1 20 LEU 4.07 3.25 1 21 ASN 4.47 3.40 1 22 SER 4.68 3.77 1 23 PHE 3.86 3.02 1 24 LEU 4.16 2.87 1 25 GLN 4.56 3.30 1 27 LEU 2.21 1.88 1 28 SER 3.30 2.73 1 29 SER -0.86 -0.26 1 30 MET 0.48 0.26 1 33 PHE -2.65 -0.96 1 34 THR -3.12 -1.82 1 35 ALA 4.27 3.08 1 36 SER 4.46 3.07 1 37 GLN 3.92 2.90 1 38 LEU 4.40 2.24 1 39 ASP 4.19 3.53 1 40 ASP 4.77 3.54 1 41 LEU 2.71 2.34 1 42 SER 5.11 3.65 1 43 THR 6.13 4.86 1 44 ILE 3.73 2.35 1 45 ALA 3.08 2.88 1 46 GLN 4.43 3.42 1 47 SER 4.32 3.29 1 48 LEU 4.21 3.17 1 49 VAL 7.03 5.68 1 50 GLN 4.87 3.41 1 51 SER 5.11 4.19 1 52 ILE 4.88 4.52 1 53 GLN 5.00 3.70 1 54 SER 3.89 3.07 1 55 LEU 2.47 2.30 1 56 ALA 2.78 1.68 1 57 ALA 2.39 1.83 1 58 GLN 0.45 0.48 1 60 ARG -0.68 -0.17 1 61 THR 1.67 0.67 1 62 SER -0.46 -0.18 1 64 ASN 3.96 2.80 1 65 LYS 2.56 1.52 1 66 LEU 4.02 2.78 1 67 GLN 4.51 3.17 1 68 ALA 3.97 2.70 1 69 LEU 4.69 2.90 1 71 MET 4.15 3.85 1 72 ALA 3.79 2.70 1 73 PHE 1.16 1.37 1 74 ALA 0.88 2.72 1 75 SER 5.45 3.66 1 76 SER 4.40 4.23 1 77 LEU 2.47 2.59 1 78 ALA 1.92 2.92 1 79 GLU 3.01 2.74 1 80 ILE 3.02 2.44 1 81 ALA 3.14 2.02 1 82 ALA -0.25 -0.20 1 83 SER 0.51 0.51 1 84 GLU -0.07 0.17 1 85 GLU 1.00 0.90 1 89 SER -3.26 -1.39 1 90 LEU 4.33 3.33 1 91 SER 4.70 3.18 1 92 THR 5.79 4.19 1 93 LYS 4.74 4.70 1 94 THR 7.86 5.95 1 95 SER 5.19 3.80 1 96 SER 5.53 4.42 1 97 ILE 5.87 5.44 1 98 ALA 4.92 3.87 1 99 SER 4.29 3.56 1 100 ALA 3.50 2.79 1 101 LEU 2.17 3.26 1 102 SER 5.52 4.26 1 103 ASN 3.83 3.39 1 104 ALA 3.59 2.34 1 105 PHE 6.58 6.38 1 106 LEU 5.15 3.95 1 107 GLN 1.78 1.70 1 108 THR 0.20 0.73 1 109 THR -0.28 0.54 1 111 VAL -3.86 -1.43 1 112 VAL 2.81 2.39 1 114 GLN 8.00 5.51 1 116 PHE 3.94 3.51 1 117 ILE 6.17 5.22 1 118 ASN 4.04 2.54 1 119 GLU 3.41 2.95 1 121 THR 6.92 5.39 1 122 GLN 4.98 3.59 1 123 LEU 2.30 2.77 1 124 VAL 6.60 5.16 1 125 SER 4.77 3.89 1 126 MET 3.60 3.43 1 127 PHE 3.50 2.63 1 128 ALA 1.54 1.75 1 129 GLN 1.54 1.29 1 130 ALA 1.56 1.30 1 132 MET 0.36 0.44 1 133 ASN -0.05 0.29 1 134 ASP 0.12 0.20 1 135 VAL 0.18 -0.02 1 136 SER -0.19 0.04 1 137 ALA 0.32 1.44 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27683_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.11 _LACS_plot.Line_1_terminator_val_y_1 2.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 7.99 _LACS_plot.Line_2_terminator_val_y_2 -1.98 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 120 ILE 5.09 -3.70 0 113 ASN -1.32 -1.75 0 10 TRP -5.11 1.61 1 11 THR 2.91 -0.47 1 12 ASN -1.49 1.67 1 15 LEU 3.25 -0.73 1 16 ALA 3.10 0.71 1 17 GLU 3.16 0.05 1 18 ASN 3.79 -0.63 1 19 PHE 4.35 -0.08 1 20 LEU 4.07 -0.82 1 21 ASN 4.47 -1.07 1 22 SER 4.68 -0.91 1 23 PHE 3.86 -0.84 1 24 LEU 4.16 -1.29 1 25 GLN 4.56 -1.26 1 27 LEU 2.21 -0.33 1 28 SER 3.30 -0.57 1 29 SER -0.86 0.60 1 30 MET 0.48 -0.22 1 33 PHE -2.65 1.69 1 34 THR -3.12 1.30 1 35 ALA 4.27 -1.19 1 36 SER 4.46 -1.39 1 37 GLN 3.92 -1.02 1 38 LEU 4.40 -2.16 1 39 ASP 4.19 -0.66 1 40 ASP 4.77 -1.23 1 41 LEU 2.71 -0.37 1 42 SER 5.11 -1.46 1 43 THR 6.13 -1.27 1 44 ILE 3.73 -1.38 1 45 ALA 3.08 -0.20 1 46 GLN 4.43 -1.01 1 47 SER 4.32 -1.03 1 48 LEU 4.21 -1.04 1 49 VAL 7.03 -1.35 1 50 GLN 4.87 -1.46 1 51 SER 5.11 -0.92 1 52 ILE 4.88 -0.36 1 53 GLN 5.00 -1.30 1 54 SER 3.89 -0.82 1 55 LEU 2.47 -0.17 1 56 ALA 2.78 -1.10 1 57 ALA 2.39 -0.56 1 58 GLN 0.45 0.03 1 60 ARG -0.68 0.51 1 61 THR 1.67 -1.00 1 62 SER -0.46 0.28 1 64 ASN 3.96 -1.16 1 65 LYS 2.56 -1.04 1 66 LEU 4.02 -1.24 1 67 GLN 4.51 -1.34 1 68 ALA 3.97 -1.27 1 69 LEU 4.69 -1.79 1 71 MET 4.15 -0.30 1 72 ALA 3.79 -1.09 1 73 PHE 1.16 0.21 1 74 ALA 0.88 1.84 1 75 SER 5.45 -1.79 1 76 SER 4.40 -0.17 1 77 LEU 2.47 0.12 1 78 ALA 1.92 1.00 1 79 GLU 3.01 -0.27 1 80 ILE 3.02 -0.58 1 81 ALA 3.14 -1.12 1 82 ALA -0.25 0.05 1 83 SER 0.51 0.00 1 84 GLU -0.07 0.24 1 85 GLU 1.00 -0.10 1 89 SER -3.26 1.87 1 90 LEU 4.33 -1.00 1 91 SER 4.70 -1.52 1 92 THR 5.79 -1.60 1 93 LYS 4.74 -0.04 1 94 THR 7.86 -1.91 1 95 SER 5.19 -1.39 1 96 SER 5.53 -1.11 1 97 ILE 5.87 -0.43 1 98 ALA 4.92 -1.05 1 99 SER 4.29 -0.73 1 100 ALA 3.50 -0.71 1 101 LEU 2.17 1.09 1 102 SER 5.52 -1.26 1 103 ASN 3.83 -0.44 1 104 ALA 3.59 -1.25 1 105 PHE 6.58 -0.20 1 106 LEU 5.15 -1.20 1 107 GLN 1.78 -0.08 1 108 THR 0.20 0.53 1 109 THR -0.28 0.82 1 111 VAL -3.86 2.43 1 112 VAL 2.81 -0.42 1 114 GLN 8.00 -2.49 1 116 PHE 3.94 -0.43 1 117 ILE 6.17 -0.95 1 118 ASN 4.04 -1.50 1 119 GLU 3.41 -0.46 1 121 THR 6.92 -1.53 1 122 GLN 4.98 -1.39 1 123 LEU 2.30 0.47 1 124 VAL 6.60 -1.44 1 125 SER 4.77 -0.88 1 126 MET 3.60 -0.17 1 127 PHE 3.50 -0.87 1 128 ALA 1.54 0.21 1 129 GLN 1.54 -0.25 1 130 ALA 1.56 -0.26 1 132 MET 0.36 0.08 1 133 ASN -0.05 0.34 1 134 ASP 0.12 0.08 1 135 VAL 0.18 -0.20 1 136 SER -0.19 0.23 1 137 ALA 0.32 1.12 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27683_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.11 _LACS_plot.Line_1_terminator_val_y_1 0.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 7.99 _LACS_plot.Line_2_terminator_val_y_2 -0.55 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 TRP -5.11 0.28 0 112 VAL 2.81 -0.90 0 11 THR 2.91 -0.46 1 12 ASN -1.49 -0.05 1 15 LEU 3.25 -0.04 1 16 ALA 3.10 -0.34 1 17 GLU 3.16 -0.45 1 18 ASN 3.79 -0.20 1 19 PHE 4.35 -0.72 1 20 LEU 4.07 -0.35 1 21 ASN 4.47 -0.19 1 22 SER 4.68 -0.30 1 23 PHE 3.86 -0.59 1 24 LEU 4.16 -0.90 1 25 GLN 4.56 -0.40 1 27 LEU 2.21 -0.59 1 28 SER 3.30 -0.39 1 29 SER -0.86 0.22 1 30 MET 0.48 0.17 1 33 PHE -2.65 0.49 1 34 THR -3.12 0.24 1 35 ALA 4.27 -0.22 1 36 SER 4.46 -0.20 1 37 GLN 3.92 -0.12 1 38 LEU 4.40 -0.36 1 39 ASP 4.19 -0.18 1 40 ASP 4.77 -0.16 1 41 LEU 2.71 -0.15 1 42 SER 5.11 -0.22 1 43 THR 6.13 -0.29 1 44 ILE 3.73 -0.20 1 45 ALA 3.08 -0.22 1 46 GLN 4.43 -0.30 1 47 SER 4.32 -0.21 1 48 LEU 4.21 -0.42 1 49 VAL 7.03 -0.78 1 50 GLN 4.87 -0.26 1 51 SER 5.11 -0.37 1 52 ILE 4.88 -0.60 1 53 GLN 5.00 -0.39 1 54 SER 3.89 -0.15 1 55 LEU 2.47 -0.23 1 56 ALA 2.78 -0.07 1 57 ALA 2.39 -0.10 1 58 GLN 0.45 0.01 1 60 ARG -0.68 0.18 1 61 THR 1.67 -0.22 1 62 SER -0.46 0.05 1 64 ASN 3.96 -0.21 1 65 LYS 2.56 -0.12 1 66 LEU 4.02 -0.23 1 67 GLN 4.51 -0.16 1 68 ALA 3.97 -0.15 1 69 LEU 4.69 -0.44 1 71 MET 4.15 -0.21 1 72 ALA 3.79 -0.24 1 73 PHE 1.16 -0.16 1 74 ALA 0.88 -0.53 1 75 SER 5.45 -0.88 1 76 SER 4.40 -0.17 1 77 LEU 2.47 -0.41 1 78 ALA 1.92 -0.38 1 79 GLU 3.01 -0.36 1 80 ILE 3.02 -0.20 1 81 ALA 3.14 -0.33 1 82 ALA -0.25 -0.04 1 83 SER 0.51 -0.14 1 84 GLU -0.07 0.00 1 85 GLU 1.00 -0.17 1 89 SER -3.26 0.22 1 90 LEU 4.33 -0.14 1 91 SER 4.70 -0.24 1 92 THR 5.79 -0.23 1 93 LYS 4.74 -0.20 1 94 THR 7.86 -0.44 1 95 SER 5.19 -0.08 1 96 SER 5.53 -0.05 1 97 ILE 5.87 -0.47 1 98 ALA 4.92 -0.26 1 99 SER 4.29 -0.11 1 100 ALA 3.50 -0.05 1 101 LEU 2.17 -0.22 1 102 SER 5.52 -0.25 1 103 ASN 3.83 -0.27 1 104 ALA 3.59 -0.07 1 105 PHE 6.58 -0.25 1 106 LEU 5.15 -0.61 1 107 GLN 1.78 -0.16 1 108 THR 0.20 0.16 1 109 THR -0.28 0.24 1 111 VAL -3.86 0.14 1 113 ASN -1.32 -0.26 1 114 GLN 8.00 -0.71 1 116 PHE 3.94 -0.40 1 117 ILE 6.17 -0.72 1 118 ASN 4.04 -0.42 1 119 GLU 3.41 -0.32 1 120 ILE 5.09 -0.48 1 121 THR 6.92 -0.62 1 122 GLN 4.98 -0.25 1 123 LEU 2.30 -0.43 1 124 VAL 6.60 -0.52 1 125 SER 4.77 -0.39 1 126 MET 3.60 -0.41 1 127 PHE 3.50 -0.15 1 128 ALA 1.54 -0.07 1 129 GLN 1.54 -0.10 1 130 ALA 1.56 -0.04 1 132 MET 0.36 -0.01 1 133 ASN -0.05 -0.01 1 134 ASP 0.12 0.00 1 135 VAL 0.18 0.07 1 136 SER -0.19 -0.01 1 137 ALA 0.32 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27683_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.11 _LACS_plot.Line_1_terminator_val_y_1 -1.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.28 _LACS_plot.Line_2_terminator_val_x_2 7.99 _LACS_plot.Line_2_terminator_val_y_2 3.33 _LACS_plot.Y_axis_chem_shift_offset -0.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 GLN 8.00 0.43 0 10 TRP -5.11 -0.30 0 11 THR 2.91 -0.73 1 12 ASN -1.49 -0.88 1 15 LEU 3.25 1.02 1 16 ALA 3.10 1.37 1 17 GLU 3.16 1.63 1 18 ASN 3.79 2.99 1 19 PHE 4.35 1.06 1 20 LEU 4.07 1.22 1 21 ASN 4.47 3.16 1 22 SER 4.68 3.70 1 23 PHE 3.86 -0.50 1 24 LEU 4.16 2.22 1 25 GLN 4.56 4.10 1 27 LEU 2.21 1.00 1 28 SER 3.30 -0.04 1 29 SER -0.86 -0.56 1 30 MET 0.48 -0.85 1 33 PHE -2.65 0.45 1 34 THR -3.12 0.30 1 35 ALA 4.27 2.79 1 36 SER 4.46 2.35 1 37 GLN 3.92 2.81 1 38 LEU 4.40 2.42 1 39 ASP 4.19 2.96 1 40 ASP 4.77 3.54 1 41 LEU 2.71 0.96 1 42 SER 5.11 2.71 1 43 THR 6.13 2.55 1 44 ILE 3.73 2.05 1 45 ALA 3.08 1.01 1 46 GLN 4.43 3.01 1 47 SER 4.32 2.61 1 48 LEU 4.21 1.38 1 49 VAL 7.03 1.73 1 50 GLN 4.87 3.45 1 51 SER 5.11 2.01 1 52 ILE 4.88 2.02 1 53 GLN 5.00 2.84 1 54 SER 3.89 2.03 1 55 LEU 2.47 1.62 1 56 ALA 2.78 2.05 1 57 ALA 2.39 1.37 1 58 GLN 0.45 0.71 1 60 ARG -0.68 -0.30 1 61 THR 1.67 -0.80 1 62 SER -0.46 0.40 1 64 ASN 3.96 2.64 1 65 LYS 2.56 2.04 1 66 LEU 4.02 1.34 1 67 GLN 4.51 2.43 1 68 ALA 3.97 3.28 1 69 LEU 4.69 0.88 1 71 MET 4.15 1.82 1 72 ALA 3.79 2.58 1 73 PHE 1.16 1.10 1 74 ALA 0.88 1.31 1 75 SER 5.45 2.81 1 76 SER 4.40 2.11 1 77 LEU 2.47 0.98 1 78 ALA 1.92 1.05 1 79 GLU 3.01 2.65 1 80 ILE 3.02 2.14 1 81 ALA 3.14 -0.80 1 82 ALA -0.25 -0.21 1 83 SER 0.51 0.77 1 84 GLU -0.07 0.65 1 85 GLU 1.00 0.65 1 89 SER -3.26 0.11 1 90 LEU 4.33 2.25 1 91 SER 4.70 2.91 1 92 THR 5.79 2.42 1 93 LYS 4.74 2.84 1 94 THR 7.86 2.01 1 95 SER 5.19 3.22 1 96 SER 5.53 0.88 1 97 ILE 5.87 0.97 1 98 ALA 4.92 2.70 1 99 SER 4.29 2.27 1 100 ALA 3.50 4.16 1 101 LEU 2.17 0.52 1 102 SER 5.52 1.99 1 103 ASN 3.83 1.45 1 104 ALA 3.59 3.87 1 105 PHE 6.58 3.32 1 106 LEU 5.15 1.50 1 107 GLN 1.78 0.79 1 108 THR 0.20 1.07 1 109 THR -0.28 1.50 1 111 VAL -3.86 -1.82 1 112 VAL 2.81 -1.71 1 113 ASN -1.32 -1.87 1 116 PHE 3.94 0.74 1 117 ILE 6.17 2.09 1 118 ASN 4.04 1.79 1 119 GLU 3.41 1.95 1 120 ILE 5.09 1.99 1 121 THR 6.92 2.69 1 122 GLN 4.98 2.99 1 123 LEU 2.30 1.03 1 124 VAL 6.60 1.10 1 125 SER 4.77 1.49 1 126 MET 3.60 3.16 1 127 PHE 3.50 3.02 1 128 ALA 1.54 1.04 1 129 GLN 1.54 0.82 1 130 ALA 1.56 0.95 1 132 MET 0.36 -0.17 1 133 ASN -0.05 -0.46 1 134 ASP 0.12 -0.11 1 135 VAL 0.18 -0.10 1 136 SER -0.19 -1.31 1 stop_ save_